SCHEMBL21153068

SCHEMBL21153068

CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)[C@@](C)(C(=O)OCC)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.46
GABRB2 P47870 9/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23722 1.00 GABRA2 (0.46) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL29687006 1.00 GABRA2 (0.46) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL7637001 1.00 GABRA2 (0.46) GABRA2GABRB2MAPTKDM4ENPC1
Butane SCHEMBL19283706 0.98 GABRA2 (0.44) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL31084630 0.96 GABRA2 (0.44) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL6346187 0.94 GABRA2 (0.42) GABRA2GABRB2MAPTKDM4EALDH1A1
SCHEMBL6061258 0.93 GABRA2 (0.42) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL30684851 0.91 GABRA2 (0.47) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL3665939 0.91 GABRA2 (0.47) GABRA2GABRB2MAPTKDM4ENPC1
SCHEMBL29419101 0.91 GABRA2 (0.42) GABRA2GABRB2MAPTKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508063-A1 SAFENED HERBICIDAL COMPOSITIONS COMPRISING PYRIDINE CARBOXYLIC ACIDS Dow AgroSciences LLC (US) 2019-07-10 EP disclosed